Crystallography Open Database

Information card for entry 4117506

Preview

Coordinates	4117506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H458 Cl24 Dy42 Ni10 O410
Calculated formula	C72 H143 Cl24 Dy42 Ni10 O294
Title of publication	High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets
Authors of publication	Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3314 - 3317
a	20.0757 ± 0.0011 Å
b	36.4581 ± 0.0012 Å
c	27.2538 ± 0.0009 Å
α	90°
β	98.715 ± 0.004°
γ	90°
Cell volume	19717.3 ± 1.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1246
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178946 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/75.	4117506.cif
74606	2013-03-01	cif/ Adding structures of 4117506 via cif-deposit CGI script.	4117506.cif